SCHEMBL7602839

SCHEMBL7602839

COc1cc(C)c(C(=O)c2c(Cl)cccc2Cl)c(OCc2ccc(F)cc2)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
HTT P42858 2/20 0.42
MAPK14 Q16539 1/20 0.41
MAPT P10636 4/20 0.41
MAOB P27338 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALOX12 P18054 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7524004 0.97 ALDH1A1 (0.42) ALDH1A1HTTMAPK14MAPTMAOB
SCHEMBL8465351 0.90 PDE4D (0.47) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL7521268 0.89 ATM (0.43) MAPTMAOBTUBB4ATUBBTUBA3C
SCHEMBL7517816 0.88 ADCYAP1R1 (0.46) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL7523289 0.84 THRA (0.43) MAPTMAOBSMN1; SMN2LMNAHPGD
SCHEMBL6691257 0.84 MAPT (0.52) ALDH1A1HTTMAPTSMN1; SMN2LMNA
SCHEMBL6149532 0.83 TUBB4A (0.40) ALDH1A1MAPTSMN1; SMN2LMNATUBB4A
SCHEMBL6148942 0.83 TUBB4A (0.44) ALDH1A1MAPTSMN1; SMN2LMNATUBB4A
SCHEMBL7520130 0.82 MAPT (0.51) ALDH1A1HTTMAPTSMN1; SMN2LMNA
SCHEMBL6150798 0.81 L3MBTL1 (0.44) ALDH1A1MAPTSMN1; SMN2LMNAHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020155518-A1 Method of detecting compounds that control fungal diseases via effects on sporulation BASF AKTIENGESELLSCHAFT (DE) 2002-10-24 US disclosed